USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 148:sc= -0.896! USER MOD Set 1.2: A 95 ASN : amide:sc= 0.345 K(o=-0.55,f=-6.5!) USER MOD Set 2.1: A 21 CYS SG : rot -35:sc= -5.55! USER MOD Set 2.2: A 24 CYS SG : rot 120:sc= 1.02 USER MOD Set 2.3: A 45 CYS SG : rot -148:sc= -0.099 USER MOD Set 2.4: A 51 HIS : no HE2:sc= -0.0509! C(o=-4.7!,f=-13!) USER MOD Set 3.1: A 37 CYS SG : rot 169:sc= 0.213 USER MOD Set 3.2: A 40 CYS SG : rot -57:sc= 0.107 USER MOD Set 3.3: A 57 HIS : no HE2:sc= 0.459 K(o=1.2,f=-0.053) USER MOD Set 3.4: A 61 THR OG1 : rot -171:sc= 0.44 USER MOD Set 3.5: A 63 HIS :FLIP no HE2:sc= -0.017 F(o=0.54,f=1.2) USER MOD Set 4.1: A 17 SER OG : rot 160:sc= 0 USER MOD Set 4.2: A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Set 5.1: A 5 CYS SG : rot 119:sc= 1.38 USER MOD Set 5.2: A 7 HIS : no HD1:sc= -0.0395 K(o=0.94,f=0.19) USER MOD Set 5.3: A 78 CYS SG : rot -112:sc= -0.395 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.28 USER MOD Single : A 33 HIS : no HE2:sc= 0.233 K(o=0.23,f=-4.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -122:sc= 0.666 USER MOD Single : A 49 SER OG : rot 180:sc= -0.222 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.268 K(o=0.27,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 140:sc= -0.977 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 79 TYR OH : rot -117:sc= 0.923 USER MOD Single : A 84 MET CE :methyl -130:sc= 0 (180deg=-1.56) USER MOD Single : A 88 SER OG : rot -100:sc= 1.27 USER MOD Single : A 91 MET CE :methyl -139:sc= -0.184 (180deg=-0.709) USER MOD Single : A 92 THR OG1 : rot 95:sc= 1.17 USER MOD Single : A 94 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.028) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N CYS A 5 -0.686 -8.680 3.818 1.00 0.00 N ATOM 59 CA CYS A 5 -0.366 -9.994 4.345 1.00 0.00 C ATOM 60 C CYS A 5 -1.400 -10.447 5.373 1.00 0.00 C ATOM 61 O CYS A 5 -1.917 -9.634 6.135 1.00 0.00 O ATOM 62 CB CYS A 5 1.030 -9.973 4.967 1.00 0.00 C ATOM 63 SG CYS A 5 1.535 -11.557 5.691 1.00 0.00 S ATOM 0 HA CYS A 5 -0.384 -10.708 3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.753 -9.687 4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.061 -9.205 5.740 1.00 0.00 H new ATOM 0 HG CYS A 5 2.602 -11.990 5.087 1.00 0.00 H new ATOM 68 N ARG A 6 -1.680 -11.753 5.387 1.00 0.00 N ATOM 69 CA ARG A 6 -2.661 -12.354 6.300 1.00 0.00 C ATOM 70 C ARG A 6 -2.356 -12.047 7.768 1.00 0.00 C ATOM 71 O ARG A 6 -3.259 -12.022 8.601 1.00 0.00 O ATOM 72 CB ARG A 6 -2.712 -13.869 6.087 1.00 0.00 C ATOM 73 CG ARG A 6 -1.362 -14.554 6.231 1.00 0.00 C ATOM 74 CD ARG A 6 -1.442 -16.035 5.900 1.00 0.00 C ATOM 75 NE ARG A 6 -1.986 -16.267 4.562 1.00 0.00 N ATOM 76 CZ ARG A 6 -1.304 -16.829 3.567 1.00 0.00 C ATOM 77 NH1 ARG A 6 -0.040 -17.189 3.740 1.00 0.00 N ATOM 78 NH2 ARG A 6 -1.890 -17.031 2.395 1.00 0.00 N ATOM 0 H ARG A 6 -1.233 -12.426 4.765 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.630 -11.912 6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.408 -14.304 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.109 -14.074 5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.638 -14.073 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.998 -14.429 7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.448 -16.477 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.066 -16.539 6.638 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.948 -15.980 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.415 -17.036 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.477 -17.619 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.862 -16.756 2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.368 -17.462 1.632 1.00 0.00 H new ATOM 92 N HIS A 7 -1.082 -11.816 8.077 1.00 0.00 N ATOM 93 CA HIS A 7 -0.672 -11.429 9.429 1.00 0.00 C ATOM 94 C HIS A 7 -1.398 -10.161 9.887 1.00 0.00 C ATOM 95 O HIS A 7 -1.529 -9.913 11.084 1.00 0.00 O ATOM 96 CB HIS A 7 0.846 -11.224 9.513 1.00 0.00 C ATOM 97 CG HIS A 7 1.641 -12.498 9.558 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.779 -12.662 8.804 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.439 -13.615 10.302 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.239 -13.865 9.103 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.461 -14.480 10.007 1.00 0.00 N ATOM 0 H HIS A 7 -0.314 -11.890 7.410 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.948 -12.246 10.096 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.170 -10.638 8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.073 -10.637 10.403 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.628 -13.789 10.994 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.130 -14.299 8.673 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.603 -15.411 10.399 1.00 0.00 H new ATOM 109 N VAL A 8 -1.849 -9.357 8.925 1.00 0.00 N ATOM 110 CA VAL A 8 -2.557 -8.111 9.214 1.00 0.00 C ATOM 111 C VAL A 8 -3.837 -8.376 10.021 1.00 0.00 C ATOM 112 O VAL A 8 -4.281 -7.531 10.794 1.00 0.00 O ATOM 113 CB VAL A 8 -2.875 -7.328 7.908 1.00 0.00 C ATOM 114 CG1 VAL A 8 -4.366 -7.286 7.606 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.314 -5.918 7.982 1.00 0.00 C ATOM 0 H VAL A 8 -1.735 -9.549 7.930 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.899 -7.491 9.823 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.394 -7.864 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.535 -6.728 6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.742 -8.302 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.890 -6.797 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.546 -5.385 7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.760 -5.393 8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.233 -5.963 8.113 1.00 0.00 H new ATOM 125 N ALA A 9 -4.428 -9.553 9.842 1.00 0.00 N ATOM 126 CA ALA A 9 -5.627 -9.924 10.588 1.00 0.00 C ATOM 127 C ALA A 9 -5.306 -10.189 12.060 1.00 0.00 C ATOM 128 O ALA A 9 -6.207 -10.342 12.888 1.00 0.00 O ATOM 129 CB ALA A 9 -6.281 -11.145 9.960 1.00 0.00 C ATOM 0 H ALA A 9 -4.098 -10.264 9.190 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.324 -9.087 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.174 -11.411 10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.558 -10.920 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.581 -11.980 9.973 1.00 0.00 H new ATOM 135 N GLY A 10 -4.019 -10.240 12.378 1.00 0.00 N ATOM 136 CA GLY A 10 -3.596 -10.473 13.743 1.00 0.00 C ATOM 137 C GLY A 10 -3.236 -9.189 14.466 1.00 0.00 C ATOM 138 O GLY A 10 -3.041 -9.191 15.683 1.00 0.00 O ATOM 0 H GLY A 10 -3.257 -10.123 11.710 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.394 -10.981 14.286 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.735 -11.141 13.744 1.00 0.00 H new ATOM 142 N ILE A 11 -3.138 -8.092 13.723 1.00 0.00 N ATOM 143 CA ILE A 11 -2.798 -6.803 14.313 1.00 0.00 C ATOM 144 C ILE A 11 -4.040 -5.943 14.497 1.00 0.00 C ATOM 145 O ILE A 11 -5.003 -6.047 13.734 1.00 0.00 O ATOM 146 CB ILE A 11 -1.767 -6.026 13.468 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.341 -5.705 12.087 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.481 -6.829 13.346 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.460 -4.816 11.239 1.00 0.00 C ATOM 0 H ILE A 11 -3.289 -8.070 12.714 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.353 -7.019 15.284 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.540 -5.084 13.967 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.516 -6.639 11.553 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.311 -5.223 12.212 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.240 -6.272 12.748 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.068 -7.008 14.339 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.692 -7.783 12.864 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.941 -4.638 10.277 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.305 -3.865 11.749 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.498 -5.303 11.079 1.00 0.00 H new ATOM 161 N ARG A 12 -4.016 -5.100 15.514 1.00 0.00 N ATOM 162 CA ARG A 12 -5.129 -4.206 15.798 1.00 0.00 C ATOM 163 C ARG A 12 -4.618 -2.797 16.071 1.00 0.00 C ATOM 164 O ARG A 12 -3.412 -2.545 16.006 1.00 0.00 O ATOM 165 CB ARG A 12 -5.928 -4.726 16.996 1.00 0.00 C ATOM 166 CG ARG A 12 -5.096 -4.910 18.255 1.00 0.00 C ATOM 167 CD ARG A 12 -5.922 -5.492 19.390 1.00 0.00 C ATOM 168 NE ARG A 12 -6.465 -6.807 19.055 1.00 0.00 N ATOM 169 CZ ARG A 12 -6.365 -7.878 19.842 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.782 -7.782 21.031 1.00 0.00 N ATOM 171 NH2 ARG A 12 -6.866 -9.041 19.447 1.00 0.00 N ATOM 0 H ARG A 12 -3.233 -5.014 16.162 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.785 -4.173 14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.741 -4.032 17.207 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.384 -5.680 16.730 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.254 -5.568 18.042 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.681 -3.950 18.561 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.304 -5.572 20.284 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.740 -4.812 19.628 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.950 -6.911 18.164 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.409 -6.886 21.345 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.707 -8.604 21.630 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.328 -9.116 18.541 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.789 -9.860 20.050 1.00 0.00 H new ATOM 185 N THR A 13 -5.530 -1.878 16.354 1.00 0.00 N ATOM 186 CA THR A 13 -5.150 -0.538 16.761 1.00 0.00 C ATOM 187 C THR A 13 -4.778 -0.549 18.236 1.00 0.00 C ATOM 188 O THR A 13 -5.643 -0.630 19.111 1.00 0.00 O ATOM 189 CB THR A 13 -6.281 0.474 16.511 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.731 0.371 15.153 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.808 1.895 16.784 1.00 0.00 C ATOM 0 H THR A 13 -6.536 -2.038 16.309 1.00 0.00 H new ATOM 0 HA THR A 13 -4.294 -0.228 16.162 1.00 0.00 H new ATOM 0 HB THR A 13 -7.103 0.245 17.190 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.453 1.016 14.998 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.625 2.592 16.600 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.487 1.978 17.822 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.973 2.133 16.125 1.00 0.00 H new ATOM 199 N VAL A 14 -3.489 -0.496 18.503 1.00 0.00 N ATOM 200 CA VAL A 14 -2.977 -0.682 19.850 1.00 0.00 C ATOM 201 C VAL A 14 -2.678 0.644 20.541 1.00 0.00 C ATOM 202 O VAL A 14 -2.738 1.711 19.927 1.00 0.00 O ATOM 203 CB VAL A 14 -1.702 -1.547 19.830 1.00 0.00 C ATOM 204 CG1 VAL A 14 -2.035 -2.980 19.444 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.672 -0.959 18.871 1.00 0.00 C ATOM 0 H VAL A 14 -2.770 -0.324 17.800 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.758 -1.190 20.416 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.274 -1.552 20.833 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.122 -3.576 19.435 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.735 -3.398 20.168 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.487 -2.994 18.452 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.222 -1.583 18.870 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.090 -0.923 17.865 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.410 0.049 19.192 1.00 0.00 H new ATOM 215 N THR A 15 -2.366 0.560 21.824 1.00 0.00 N ATOM 216 CA THR A 15 -1.990 1.722 22.606 1.00 0.00 C ATOM 217 C THR A 15 -0.479 1.738 22.801 1.00 0.00 C ATOM 218 O THR A 15 0.097 0.756 23.273 1.00 0.00 O ATOM 219 CB THR A 15 -2.680 1.715 23.985 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.099 1.571 23.820 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.381 2.994 24.754 1.00 0.00 C ATOM 0 H THR A 15 -2.367 -0.314 22.350 1.00 0.00 H new ATOM 0 HA THR A 15 -2.309 2.613 22.065 1.00 0.00 H new ATOM 0 HB THR A 15 -2.290 0.872 24.556 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.532 1.565 24.699 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.880 2.961 25.722 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.305 3.086 24.903 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.743 3.852 24.188 1.00 0.00 H new ATOM 229 N PRO A 16 0.182 2.839 22.414 1.00 0.00 N ATOM 230 CA PRO A 16 1.635 2.982 22.548 1.00 0.00 C ATOM 231 C PRO A 16 2.095 2.898 24.001 1.00 0.00 C ATOM 232 O PRO A 16 1.744 3.744 24.824 1.00 0.00 O ATOM 233 CB PRO A 16 1.919 4.376 21.977 1.00 0.00 C ATOM 234 CG PRO A 16 0.729 4.701 21.141 1.00 0.00 C ATOM 235 CD PRO A 16 -0.433 4.028 21.805 1.00 0.00 C ATOM 0 HA PRO A 16 2.168 2.183 22.033 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.054 5.108 22.773 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.832 4.380 21.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.575 5.778 21.082 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.858 4.341 20.120 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.899 4.670 22.553 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.209 3.759 21.088 1.00 0.00 H new ATOM 243 N SER A 17 2.861 1.855 24.302 1.00 0.00 N ATOM 244 CA SER A 17 3.428 1.650 25.631 1.00 0.00 C ATOM 245 C SER A 17 4.281 2.848 26.051 1.00 0.00 C ATOM 246 O SER A 17 4.247 3.281 27.206 1.00 0.00 O ATOM 247 CB SER A 17 4.269 0.368 25.629 1.00 0.00 C ATOM 248 OG SER A 17 4.885 0.137 26.883 1.00 0.00 O ATOM 0 H SER A 17 3.107 1.127 23.631 1.00 0.00 H new ATOM 0 HA SER A 17 2.616 1.551 26.352 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.635 -0.481 25.374 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.034 0.437 24.856 1.00 0.00 H new ATOM 0 HG SER A 17 5.135 -0.808 26.956 1.00 0.00 H new ATOM 254 N ALA A 18 5.028 3.390 25.102 1.00 0.00 N ATOM 255 CA ALA A 18 5.892 4.525 25.361 1.00 0.00 C ATOM 256 C ALA A 18 5.730 5.563 24.260 1.00 0.00 C ATOM 257 O ALA A 18 5.128 5.281 23.222 1.00 0.00 O ATOM 258 CB ALA A 18 7.342 4.069 25.469 1.00 0.00 C ATOM 0 H ALA A 18 5.051 3.057 24.138 1.00 0.00 H new ATOM 0 HA ALA A 18 5.608 4.981 26.309 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.981 4.930 25.664 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.439 3.354 26.286 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.645 3.596 24.535 1.00 0.00 H new ATOM 264 N LEU A 19 6.256 6.758 24.491 1.00 0.00 N ATOM 265 CA LEU A 19 6.200 7.822 23.498 1.00 0.00 C ATOM 266 C LEU A 19 7.261 7.574 22.437 1.00 0.00 C ATOM 267 O LEU A 19 7.047 7.794 21.249 1.00 0.00 O ATOM 268 CB LEU A 19 6.427 9.188 24.156 1.00 0.00 C ATOM 269 CG LEU A 19 5.523 9.501 25.352 1.00 0.00 C ATOM 270 CD1 LEU A 19 5.812 10.896 25.886 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.057 9.364 24.970 1.00 0.00 C ATOM 0 H LEU A 19 6.727 7.015 25.358 1.00 0.00 H new ATOM 0 HA LEU A 19 5.213 7.825 23.036 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.465 9.247 24.482 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.285 9.963 23.403 1.00 0.00 H new ATOM 0 HG LEU A 19 5.736 8.780 26.141 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.161 11.102 26.736 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.853 10.956 26.204 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.629 11.631 25.102 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.433 9.591 25.834 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.825 10.059 24.163 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.861 8.344 24.639 1.00 0.00 H new ATOM 283 N GLY A 20 8.409 7.108 22.893 1.00 0.00 N ATOM 284 CA GLY A 20 9.476 6.731 21.999 1.00 0.00 C ATOM 285 C GLY A 20 9.953 5.330 22.298 1.00 0.00 C ATOM 286 O GLY A 20 9.179 4.501 22.771 1.00 0.00 O ATOM 0 H GLY A 20 8.622 6.983 23.883 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.130 6.790 20.967 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.305 7.432 22.098 1.00 0.00 H new ATOM 290 N CYS A 21 11.219 5.055 22.043 1.00 0.00 N ATOM 291 CA CYS A 21 11.770 3.753 22.368 1.00 0.00 C ATOM 292 C CYS A 21 12.145 3.695 23.841 1.00 0.00 C ATOM 293 O CYS A 21 13.154 4.262 24.263 1.00 0.00 O ATOM 294 CB CYS A 21 12.976 3.431 21.486 1.00 0.00 C ATOM 295 SG CYS A 21 14.203 4.749 21.388 1.00 0.00 S ATOM 0 H CYS A 21 11.878 5.707 21.617 1.00 0.00 H new ATOM 0 HA CYS A 21 11.008 2.999 22.174 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.458 2.530 21.866 1.00 0.00 H new ATOM 0 HB3 CYS A 21 12.624 3.204 20.480 1.00 0.00 H new ATOM 0 HG CYS A 21 13.604 5.903 21.423 1.00 0.00 H new ATOM 301 N GLU A 22 11.309 3.016 24.614 1.00 0.00 N ATOM 302 CA GLU A 22 11.500 2.873 26.054 1.00 0.00 C ATOM 303 C GLU A 22 12.885 2.315 26.380 1.00 0.00 C ATOM 304 O GLU A 22 13.460 2.627 27.423 1.00 0.00 O ATOM 305 CB GLU A 22 10.407 1.971 26.647 1.00 0.00 C ATOM 306 CG GLU A 22 10.467 0.509 26.203 1.00 0.00 C ATOM 307 CD GLU A 22 10.401 0.327 24.697 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.303 0.479 24.132 1.00 0.00 O ATOM 309 OE2 GLU A 22 11.458 0.045 24.078 1.00 0.00 O ATOM 0 H GLU A 22 10.475 2.546 24.260 1.00 0.00 H new ATOM 0 HA GLU A 22 11.426 3.863 26.503 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.476 2.008 27.734 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.433 2.378 26.375 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.390 0.063 26.574 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.642 -0.036 26.663 1.00 0.00 H new ATOM 316 N GLU A 23 13.406 1.483 25.485 1.00 0.00 N ATOM 317 CA GLU A 23 14.748 0.938 25.622 1.00 0.00 C ATOM 318 C GLU A 23 15.776 2.063 25.738 1.00 0.00 C ATOM 319 O GLU A 23 16.500 2.162 26.721 1.00 0.00 O ATOM 320 CB GLU A 23 15.068 0.050 24.418 1.00 0.00 C ATOM 321 CG GLU A 23 16.392 -0.686 24.523 1.00 0.00 C ATOM 322 CD GLU A 23 16.475 -1.569 25.752 1.00 0.00 C ATOM 323 OE1 GLU A 23 15.453 -2.183 26.117 1.00 0.00 O ATOM 324 OE2 GLU A 23 17.569 -1.665 26.343 1.00 0.00 O ATOM 0 H GLU A 23 12.912 1.170 24.649 1.00 0.00 H new ATOM 0 HA GLU A 23 14.794 0.339 26.532 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.268 -0.680 24.296 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.078 0.666 23.519 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.535 -1.297 23.632 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.205 0.039 24.546 1.00 0.00 H new ATOM 331 N CYS A 24 15.816 2.930 24.743 1.00 0.00 N ATOM 332 CA CYS A 24 16.763 4.031 24.745 1.00 0.00 C ATOM 333 C CYS A 24 16.394 5.061 25.816 1.00 0.00 C ATOM 334 O CYS A 24 17.267 5.680 26.427 1.00 0.00 O ATOM 335 CB CYS A 24 16.812 4.672 23.358 1.00 0.00 C ATOM 336 SG CYS A 24 17.409 3.557 22.062 1.00 0.00 S ATOM 0 H CYS A 24 15.207 2.894 23.926 1.00 0.00 H new ATOM 0 HA CYS A 24 17.754 3.647 24.986 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.814 5.021 23.093 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.457 5.550 23.396 1.00 0.00 H new ATOM 0 HG CYS A 24 16.491 3.418 21.152 1.00 0.00 H new ATOM 342 N LEU A 25 15.098 5.199 26.073 1.00 0.00 N ATOM 343 CA LEU A 25 14.599 6.167 27.046 1.00 0.00 C ATOM 344 C LEU A 25 14.920 5.766 28.483 1.00 0.00 C ATOM 345 O LEU A 25 14.837 6.592 29.389 1.00 0.00 O ATOM 346 CB LEU A 25 13.088 6.352 26.889 1.00 0.00 C ATOM 347 CG LEU A 25 12.657 7.157 25.664 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.142 7.173 25.545 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.199 8.577 25.752 1.00 0.00 C ATOM 0 H LEU A 25 14.369 4.649 25.618 1.00 0.00 H new ATOM 0 HA LEU A 25 15.109 7.109 26.844 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.620 5.369 26.841 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.703 6.845 27.782 1.00 0.00 H new ATOM 0 HG LEU A 25 13.066 6.682 24.773 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.852 7.751 24.667 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.774 6.152 25.445 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.712 7.628 26.437 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.885 9.141 24.874 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.812 9.059 26.650 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.288 8.549 25.796 1.00 0.00 H new ATOM 361 N LYS A 26 15.289 4.507 28.704 1.00 0.00 N ATOM 362 CA LYS A 26 15.579 4.049 30.059 1.00 0.00 C ATOM 363 C LYS A 26 16.948 4.552 30.504 1.00 0.00 C ATOM 364 O LYS A 26 17.253 4.594 31.696 1.00 0.00 O ATOM 365 CB LYS A 26 15.512 2.520 30.151 1.00 0.00 C ATOM 366 CG LYS A 26 16.730 1.805 29.589 1.00 0.00 C ATOM 367 CD LYS A 26 16.472 0.320 29.399 1.00 0.00 C ATOM 368 CE LYS A 26 16.114 -0.363 30.709 1.00 0.00 C ATOM 369 NZ LYS A 26 15.769 -1.794 30.508 1.00 0.00 N ATOM 0 H LYS A 26 15.393 3.798 27.978 1.00 0.00 H new ATOM 0 HA LYS A 26 14.821 4.458 30.726 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.389 2.236 31.196 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.625 2.174 29.620 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.005 2.252 28.634 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.576 1.944 30.262 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.662 0.181 28.683 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.358 -0.151 28.974 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.953 -0.285 31.401 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.272 0.153 31.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.531 -2.226 31.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.953 -1.868 29.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.582 -2.292 30.092 1.00 0.00 H new ATOM 383 N ILE A 27 17.767 4.948 29.539 1.00 0.00 N ATOM 384 CA ILE A 27 19.102 5.445 29.833 1.00 0.00 C ATOM 385 C ILE A 27 19.297 6.855 29.280 1.00 0.00 C ATOM 386 O ILE A 27 20.341 7.473 29.483 1.00 0.00 O ATOM 387 CB ILE A 27 20.188 4.509 29.265 1.00 0.00 C ATOM 388 CG1 ILE A 27 19.977 4.289 27.765 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.190 3.182 30.011 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.943 3.299 27.156 1.00 0.00 C ATOM 0 H ILE A 27 17.530 4.934 28.547 1.00 0.00 H new ATOM 0 HA ILE A 27 19.202 5.474 30.918 1.00 0.00 H new ATOM 0 HB ILE A 27 21.160 4.981 29.406 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.958 3.940 27.597 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.075 5.244 27.249 1.00 0.00 H new ATOM 0 HG21 ILE A 27 20.962 2.533 29.598 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.392 3.359 31.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.217 2.702 29.903 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.734 3.194 26.091 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.964 3.656 27.291 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.829 2.332 27.645 1.00 0.00 H new ATOM 402 N GLY A 28 18.286 7.356 28.582 1.00 0.00 N ATOM 403 CA GLY A 28 18.350 8.698 28.035 1.00 0.00 C ATOM 404 C GLY A 28 19.123 8.766 26.733 1.00 0.00 C ATOM 405 O GLY A 28 19.680 9.804 26.390 1.00 0.00 O ATOM 0 H GLY A 28 17.420 6.855 28.384 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.338 9.067 27.871 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.816 9.361 28.764 1.00 0.00 H new ATOM 409 N SER A 29 19.157 7.663 26.004 1.00 0.00 N ATOM 410 CA SER A 29 19.858 7.619 24.731 1.00 0.00 C ATOM 411 C SER A 29 18.912 7.980 23.587 1.00 0.00 C ATOM 412 O SER A 29 17.713 7.701 23.652 1.00 0.00 O ATOM 413 CB SER A 29 20.466 6.232 24.510 1.00 0.00 C ATOM 414 OG SER A 29 21.489 5.966 25.458 1.00 0.00 O ATOM 0 H SER A 29 18.708 6.787 26.271 1.00 0.00 H new ATOM 0 HA SER A 29 20.665 8.352 24.751 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.687 5.473 24.588 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.874 6.167 23.502 1.00 0.00 H new ATOM 0 HG SER A 29 21.860 5.073 25.297 1.00 0.00 H new ATOM 420 N PRO A 30 19.436 8.627 22.535 1.00 0.00 N ATOM 421 CA PRO A 30 18.636 9.033 21.378 1.00 0.00 C ATOM 422 C PRO A 30 18.261 7.856 20.481 1.00 0.00 C ATOM 423 O PRO A 30 18.676 6.717 20.717 1.00 0.00 O ATOM 424 CB PRO A 30 19.562 9.996 20.633 1.00 0.00 C ATOM 425 CG PRO A 30 20.936 9.548 20.990 1.00 0.00 C ATOM 426 CD PRO A 30 20.850 9.025 22.397 1.00 0.00 C ATOM 0 HA PRO A 30 17.684 9.473 21.677 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.398 9.951 19.556 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.390 11.028 20.939 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.283 8.773 20.307 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.645 10.373 20.923 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.521 8.180 22.552 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.124 9.788 23.126 1.00 0.00 H new ATOM 434 N TRP A 31 17.479 8.139 19.449 1.00 0.00 N ATOM 435 CA TRP A 31 17.050 7.117 18.512 1.00 0.00 C ATOM 436 C TRP A 31 17.021 7.673 17.097 1.00 0.00 C ATOM 437 O TRP A 31 17.061 8.887 16.899 1.00 0.00 O ATOM 438 CB TRP A 31 15.665 6.579 18.893 1.00 0.00 C ATOM 439 CG TRP A 31 14.585 7.624 18.942 1.00 0.00 C ATOM 440 CD1 TRP A 31 13.968 8.223 17.879 1.00 0.00 C ATOM 441 CD2 TRP A 31 13.978 8.176 20.117 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.026 9.118 18.323 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.011 9.105 19.691 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.159 7.977 21.487 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.229 9.830 20.585 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.382 8.696 22.372 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.426 9.612 21.919 1.00 0.00 C ATOM 0 H TRP A 31 17.128 9.074 19.241 1.00 0.00 H new ATOM 0 HA TRP A 31 17.765 6.296 18.554 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.377 5.810 18.176 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.732 6.097 19.868 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.189 8.022 16.841 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.434 9.698 17.729 1.00 0.00 H new ATOM 0 HE3 TRP A 31 14.894 7.273 21.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.493 10.539 20.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.514 8.549 23.434 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.832 10.157 22.638 1.00 0.00 H new ATOM 458 N VAL A 32 16.949 6.778 16.124 1.00 0.00 N ATOM 459 CA VAL A 32 16.850 7.176 14.729 1.00 0.00 C ATOM 460 C VAL A 32 15.409 7.047 14.248 1.00 0.00 C ATOM 461 O VAL A 32 14.819 8.005 13.759 1.00 0.00 O ATOM 462 CB VAL A 32 17.763 6.320 13.825 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.752 6.845 12.396 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.182 6.279 14.374 1.00 0.00 C ATOM 0 H VAL A 32 16.957 5.769 16.275 1.00 0.00 H new ATOM 0 HA VAL A 32 17.175 8.214 14.663 1.00 0.00 H new ATOM 0 HB VAL A 32 17.374 5.302 13.816 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.402 6.227 11.776 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.736 6.810 12.003 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.110 7.874 12.384 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.807 5.670 13.721 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.583 7.291 14.421 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.173 5.846 15.374 1.00 0.00 H new ATOM 474 N HIS A 33 14.851 5.850 14.394 1.00 0.00 N ATOM 475 CA HIS A 33 13.471 5.591 13.998 1.00 0.00 C ATOM 476 C HIS A 33 12.761 4.763 15.062 1.00 0.00 C ATOM 477 O HIS A 33 13.404 4.050 15.839 1.00 0.00 O ATOM 478 CB HIS A 33 13.410 4.867 12.646 1.00 0.00 C ATOM 479 CG HIS A 33 13.832 5.711 11.480 1.00 0.00 C ATOM 480 ND1 HIS A 33 14.845 5.351 10.616 1.00 0.00 N ATOM 481 CD2 HIS A 33 13.363 6.899 11.031 1.00 0.00 C ATOM 482 CE1 HIS A 33 14.980 6.284 9.689 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.093 7.233 9.917 1.00 0.00 N ATOM 0 H HIS A 33 15.335 5.041 14.785 1.00 0.00 H new ATOM 0 HA HIS A 33 12.966 6.552 13.896 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.046 3.983 12.690 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.391 4.518 12.478 1.00 0.00 H new ATOM 0 HD1 HIS A 33 15.402 4.499 10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.562 7.477 11.468 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.696 6.271 8.881 1.00 0.00 H new ATOM 492 N LEU A 34 11.439 4.854 15.081 1.00 0.00 N ATOM 493 CA LEU A 34 10.624 4.175 16.080 1.00 0.00 C ATOM 494 C LEU A 34 9.610 3.254 15.417 1.00 0.00 C ATOM 495 O LEU A 34 9.008 3.604 14.402 1.00 0.00 O ATOM 496 CB LEU A 34 9.882 5.196 16.944 1.00 0.00 C ATOM 497 CG LEU A 34 10.773 6.156 17.729 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.924 7.169 18.477 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.661 5.386 18.692 1.00 0.00 C ATOM 0 H LEU A 34 10.902 5.399 14.407 1.00 0.00 H new ATOM 0 HA LEU A 34 11.290 3.581 16.706 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.223 5.781 16.302 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.246 4.658 17.648 1.00 0.00 H new ATOM 0 HG LEU A 34 11.412 6.693 17.028 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.572 7.847 19.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.327 7.739 17.766 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.263 6.649 19.171 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.290 6.084 19.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.040 4.826 19.391 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.291 4.695 18.132 1.00 0.00 H new ATOM 511 N ARG A 35 9.423 2.079 15.997 1.00 0.00 N ATOM 512 CA ARG A 35 8.454 1.121 15.491 1.00 0.00 C ATOM 513 C ARG A 35 7.486 0.709 16.593 1.00 0.00 C ATOM 514 O ARG A 35 7.900 0.193 17.629 1.00 0.00 O ATOM 515 CB ARG A 35 9.159 -0.122 14.944 1.00 0.00 C ATOM 516 CG ARG A 35 10.060 0.144 13.749 1.00 0.00 C ATOM 517 CD ARG A 35 10.758 -1.129 13.298 1.00 0.00 C ATOM 518 NE ARG A 35 11.562 -0.928 12.095 1.00 0.00 N ATOM 519 CZ ARG A 35 12.318 -1.874 11.536 1.00 0.00 C ATOM 520 NH1 ARG A 35 12.334 -3.105 12.031 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.036 -1.595 10.461 1.00 0.00 N ATOM 0 H ARG A 35 9.933 1.765 16.823 1.00 0.00 H new ATOM 0 HA ARG A 35 7.898 1.600 14.685 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.754 -0.568 15.741 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.406 -0.857 14.660 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.470 0.550 12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.803 0.897 14.010 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.397 -1.494 14.102 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.012 -1.901 13.108 1.00 0.00 H new ATOM 0 HE ARG A 35 11.544 -0.008 11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.765 -3.334 12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.915 -3.822 11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.011 -0.657 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.615 -2.318 10.033 1.00 0.00 H new ATOM 535 N ILE A 36 6.203 0.940 16.369 1.00 0.00 N ATOM 536 CA ILE A 36 5.178 0.499 17.303 1.00 0.00 C ATOM 537 C ILE A 36 4.605 -0.831 16.837 1.00 0.00 C ATOM 538 O ILE A 36 4.111 -0.972 15.720 1.00 0.00 O ATOM 539 CB ILE A 36 4.051 1.549 17.482 1.00 0.00 C ATOM 540 CG1 ILE A 36 2.980 1.025 18.447 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.433 1.929 16.143 1.00 0.00 C ATOM 542 CD1 ILE A 36 1.867 2.013 18.721 1.00 0.00 C ATOM 0 H ILE A 36 5.846 1.430 15.549 1.00 0.00 H new ATOM 0 HA ILE A 36 5.646 0.375 18.280 1.00 0.00 H new ATOM 0 HB ILE A 36 4.492 2.449 17.910 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.549 0.112 18.036 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.455 0.756 19.391 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.646 2.667 16.302 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.201 2.351 15.495 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.009 1.042 15.673 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.149 1.570 19.411 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.284 2.918 19.163 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.365 2.264 17.787 1.00 0.00 H new ATOM 554 N CYS A 37 4.730 -1.817 17.694 1.00 0.00 N ATOM 555 CA CYS A 37 4.285 -3.162 17.397 1.00 0.00 C ATOM 556 C CYS A 37 2.761 -3.236 17.418 1.00 0.00 C ATOM 557 O CYS A 37 2.144 -3.087 18.472 1.00 0.00 O ATOM 558 CB CYS A 37 4.888 -4.091 18.434 1.00 0.00 C ATOM 559 SG CYS A 37 4.524 -5.849 18.224 1.00 0.00 S ATOM 0 H CYS A 37 5.144 -1.711 18.620 1.00 0.00 H new ATOM 0 HA CYS A 37 4.610 -3.459 16.400 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.970 -3.960 18.426 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.537 -3.782 19.419 1.00 0.00 H new ATOM 0 HG CYS A 37 5.278 -6.547 19.020 1.00 0.00 H new ATOM 564 N ARG A 38 2.166 -3.494 16.255 1.00 0.00 N ATOM 565 CA ARG A 38 0.711 -3.416 16.083 1.00 0.00 C ATOM 566 C ARG A 38 -0.033 -4.569 16.756 1.00 0.00 C ATOM 567 O ARG A 38 -1.250 -4.683 16.623 1.00 0.00 O ATOM 568 CB ARG A 38 0.358 -3.392 14.595 1.00 0.00 C ATOM 569 CG ARG A 38 0.771 -2.119 13.877 1.00 0.00 C ATOM 570 CD ARG A 38 0.005 -0.908 14.390 1.00 0.00 C ATOM 571 NE ARG A 38 -1.445 -1.080 14.281 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.275 -0.135 13.838 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.806 1.039 13.448 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.582 -0.364 13.783 1.00 0.00 N ATOM 0 H ARG A 38 2.671 -3.761 15.410 1.00 0.00 H new ATOM 0 HA ARG A 38 0.392 -2.493 16.567 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.834 -4.242 14.106 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.719 -3.524 14.486 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.840 -1.956 14.011 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.598 -2.232 12.807 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.270 -0.728 15.432 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.307 -0.025 13.827 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.844 -1.976 14.561 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.804 1.226 13.485 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.446 1.757 13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.955 -1.266 14.080 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.213 0.362 13.443 1.00 0.00 H new ATOM 588 N THR A 39 0.682 -5.425 17.468 1.00 0.00 N ATOM 589 CA THR A 39 0.040 -6.545 18.139 1.00 0.00 C ATOM 590 C THR A 39 -0.157 -6.262 19.625 1.00 0.00 C ATOM 591 O THR A 39 -1.269 -6.342 20.142 1.00 0.00 O ATOM 592 CB THR A 39 0.859 -7.838 17.985 1.00 0.00 C ATOM 593 OG1 THR A 39 1.394 -7.925 16.659 1.00 0.00 O ATOM 594 CG2 THR A 39 -0.007 -9.056 18.269 1.00 0.00 C ATOM 0 H THR A 39 1.692 -5.369 17.596 1.00 0.00 H new ATOM 0 HA THR A 39 -0.932 -6.677 17.664 1.00 0.00 H new ATOM 0 HB THR A 39 1.678 -7.815 18.704 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.915 -8.750 16.570 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.590 -9.961 18.155 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.391 -9.000 19.288 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.841 -9.081 17.568 1.00 0.00 H new ATOM 602 N CYS A 40 0.926 -5.911 20.304 1.00 0.00 N ATOM 603 CA CYS A 40 0.893 -5.747 21.753 1.00 0.00 C ATOM 604 C CYS A 40 1.004 -4.274 22.150 1.00 0.00 C ATOM 605 O CYS A 40 0.885 -3.926 23.321 1.00 0.00 O ATOM 606 CB CYS A 40 2.022 -6.560 22.390 1.00 0.00 C ATOM 607 SG CYS A 40 3.684 -5.975 21.951 1.00 0.00 S ATOM 0 H CYS A 40 1.836 -5.735 19.878 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.066 -6.114 22.119 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.911 -6.531 23.474 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.922 -7.602 22.087 1.00 0.00 H new ATOM 0 HG CYS A 40 3.821 -5.989 20.658 1.00 0.00 H new ATOM 612 N GLY A 41 1.236 -3.409 21.165 1.00 0.00 N ATOM 613 CA GLY A 41 1.299 -1.980 21.427 1.00 0.00 C ATOM 614 C GLY A 41 2.606 -1.533 22.052 1.00 0.00 C ATOM 615 O GLY A 41 2.695 -0.433 22.594 1.00 0.00 O ATOM 0 H GLY A 41 1.381 -3.672 20.190 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.151 -1.441 20.491 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.477 -1.704 22.088 1.00 0.00 H new ATOM 619 N HIS A 42 3.632 -2.364 21.963 1.00 0.00 N ATOM 620 CA HIS A 42 4.909 -2.023 22.567 1.00 0.00 C ATOM 621 C HIS A 42 5.797 -1.381 21.518 1.00 0.00 C ATOM 622 O HIS A 42 5.831 -1.828 20.368 1.00 0.00 O ATOM 623 CB HIS A 42 5.583 -3.259 23.171 1.00 0.00 C ATOM 624 CG HIS A 42 6.561 -2.934 24.266 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.185 -2.785 25.584 1.00 0.00 N ATOM 626 CD2 HIS A 42 7.903 -2.737 24.238 1.00 0.00 C ATOM 627 CE1 HIS A 42 7.247 -2.511 26.316 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.303 -2.477 25.527 1.00 0.00 N ATOM 0 H HIS A 42 3.607 -3.265 21.486 1.00 0.00 H new ATOM 0 HA HIS A 42 4.742 -1.317 23.381 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.816 -3.925 23.566 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.101 -3.803 22.381 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.538 -2.777 23.366 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.251 -2.343 27.383 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.260 -2.289 25.825 1.00 0.00 H new ATOM 637 N VAL A 43 6.491 -0.330 21.908 1.00 0.00 N ATOM 638 CA VAL A 43 7.322 0.417 20.983 1.00 0.00 C ATOM 639 C VAL A 43 8.725 -0.189 20.948 1.00 0.00 C ATOM 640 O VAL A 43 9.043 -1.084 21.732 1.00 0.00 O ATOM 641 CB VAL A 43 7.385 1.915 21.386 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.916 2.780 20.248 1.00 0.00 C ATOM 643 CG2 VAL A 43 6.014 2.408 21.831 1.00 0.00 C ATOM 0 H VAL A 43 6.496 0.028 22.863 1.00 0.00 H new ATOM 0 HA VAL A 43 6.883 0.356 19.987 1.00 0.00 H new ATOM 0 HB VAL A 43 8.079 2.002 22.222 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.946 3.822 20.566 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.921 2.453 19.981 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.261 2.684 19.382 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.078 3.460 22.109 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.303 2.292 21.013 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.679 1.825 22.689 1.00 0.00 H new ATOM 653 N GLY A 44 9.534 0.252 20.004 1.00 0.00 N ATOM 654 CA GLY A 44 10.905 -0.185 19.935 1.00 0.00 C ATOM 655 C GLY A 44 11.692 0.645 18.952 1.00 0.00 C ATOM 656 O GLY A 44 11.134 1.153 17.979 1.00 0.00 O ATOM 0 H GLY A 44 9.261 0.913 19.277 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.362 -0.115 20.922 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.941 -1.234 19.641 1.00 0.00 H new ATOM 660 N CYS A 45 12.978 0.804 19.206 1.00 0.00 N ATOM 661 CA CYS A 45 13.834 1.545 18.300 1.00 0.00 C ATOM 662 C CYS A 45 14.166 0.701 17.079 1.00 0.00 C ATOM 663 O CYS A 45 14.423 -0.502 17.194 1.00 0.00 O ATOM 664 CB CYS A 45 15.109 1.993 19.015 1.00 0.00 C ATOM 665 SG CYS A 45 15.904 0.695 19.987 1.00 0.00 S ATOM 0 H CYS A 45 13.451 0.431 20.029 1.00 0.00 H new ATOM 0 HA CYS A 45 13.302 2.436 17.966 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.818 2.363 18.274 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.870 2.829 19.672 1.00 0.00 H new ATOM 0 HG CYS A 45 16.495 1.224 21.017 1.00 0.00 H new ATOM 671 N CYS A 46 14.139 1.337 15.918 1.00 0.00 N ATOM 672 CA CYS A 46 14.405 0.667 14.652 1.00 0.00 C ATOM 673 C CYS A 46 15.828 0.114 14.618 1.00 0.00 C ATOM 674 O CYS A 46 16.659 0.470 15.457 1.00 0.00 O ATOM 675 CB CYS A 46 14.187 1.659 13.505 1.00 0.00 C ATOM 676 SG CYS A 46 14.422 0.977 11.850 1.00 0.00 S ATOM 0 H CYS A 46 13.932 2.332 15.826 1.00 0.00 H new ATOM 0 HA CYS A 46 13.720 -0.174 14.541 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.175 2.057 13.577 1.00 0.00 H new ATOM 0 HB3 CYS A 46 14.870 2.498 13.636 1.00 0.00 H new ATOM 0 HG CYS A 46 15.341 1.654 11.228 1.00 0.00 H new ATOM 682 N ASP A 47 16.108 -0.737 13.633 1.00 0.00 N ATOM 683 CA ASP A 47 17.426 -1.354 13.491 1.00 0.00 C ATOM 684 C ASP A 47 18.496 -0.314 13.164 1.00 0.00 C ATOM 685 O ASP A 47 19.688 -0.613 13.177 1.00 0.00 O ATOM 686 CB ASP A 47 17.408 -2.452 12.418 1.00 0.00 C ATOM 687 CG ASP A 47 16.895 -1.973 11.072 1.00 0.00 C ATOM 688 OD1 ASP A 47 17.628 -1.250 10.367 1.00 0.00 O ATOM 689 OD2 ASP A 47 15.756 -2.331 10.706 1.00 0.00 O ATOM 0 H ASP A 47 15.436 -1.016 12.918 1.00 0.00 H new ATOM 0 HA ASP A 47 17.676 -1.809 14.449 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.417 -2.845 12.295 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.784 -3.277 12.763 1.00 0.00 H new ATOM 694 N ASP A 48 18.061 0.908 12.868 1.00 0.00 N ATOM 695 CA ASP A 48 18.979 2.027 12.667 1.00 0.00 C ATOM 696 C ASP A 48 19.678 2.377 13.978 1.00 0.00 C ATOM 697 O ASP A 48 20.767 2.946 13.986 1.00 0.00 O ATOM 698 CB ASP A 48 18.235 3.266 12.157 1.00 0.00 C ATOM 699 CG ASP A 48 17.531 3.050 10.834 1.00 0.00 C ATOM 700 OD1 ASP A 48 18.218 2.912 9.799 1.00 0.00 O ATOM 701 OD2 ASP A 48 16.280 3.045 10.821 1.00 0.00 O ATOM 0 H ASP A 48 17.076 1.149 12.762 1.00 0.00 H new ATOM 0 HA ASP A 48 19.714 1.722 11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.502 3.572 12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 48 18.944 4.087 12.052 1.00 0.00 H new ATOM 706 N SER A 49 19.033 2.035 15.085 1.00 0.00 N ATOM 707 CA SER A 49 19.568 2.306 16.407 1.00 0.00 C ATOM 708 C SER A 49 20.329 1.083 16.910 1.00 0.00 C ATOM 709 O SER A 49 19.896 -0.045 16.687 1.00 0.00 O ATOM 710 CB SER A 49 18.423 2.659 17.364 1.00 0.00 C ATOM 711 OG SER A 49 18.900 3.005 18.654 1.00 0.00 O ATOM 0 H SER A 49 18.128 1.564 15.090 1.00 0.00 H new ATOM 0 HA SER A 49 20.255 3.151 16.359 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.850 3.491 16.954 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.742 1.812 17.444 1.00 0.00 H new ATOM 0 HG SER A 49 18.142 3.225 19.235 1.00 0.00 H new ATOM 717 N PRO A 50 21.468 1.294 17.595 1.00 0.00 N ATOM 718 CA PRO A 50 22.327 0.207 18.089 1.00 0.00 C ATOM 719 C PRO A 50 21.572 -0.834 18.917 1.00 0.00 C ATOM 720 O PRO A 50 21.919 -2.016 18.901 1.00 0.00 O ATOM 721 CB PRO A 50 23.373 0.925 18.959 1.00 0.00 C ATOM 722 CG PRO A 50 22.860 2.315 19.140 1.00 0.00 C ATOM 723 CD PRO A 50 22.021 2.611 17.933 1.00 0.00 C ATOM 0 HA PRO A 50 22.754 -0.357 17.260 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.494 0.424 19.919 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.350 0.928 18.475 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.271 2.397 20.053 1.00 0.00 H new ATOM 0 HG3 PRO A 50 23.682 3.025 19.226 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.237 3.335 18.153 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.616 3.022 17.117 1.00 0.00 H new ATOM 731 N HIS A 51 20.536 -0.395 19.626 1.00 0.00 N ATOM 732 CA HIS A 51 19.740 -1.298 20.455 1.00 0.00 C ATOM 733 C HIS A 51 18.946 -2.289 19.605 1.00 0.00 C ATOM 734 O HIS A 51 18.899 -3.477 19.920 1.00 0.00 O ATOM 735 CB HIS A 51 18.781 -0.515 21.354 1.00 0.00 C ATOM 736 CG HIS A 51 19.377 -0.057 22.650 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.301 1.247 23.092 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.006 -0.747 23.633 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.850 1.336 24.287 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.285 0.145 24.638 1.00 0.00 N ATOM 0 H HIS A 51 20.228 0.577 19.644 1.00 0.00 H new ATOM 0 HA HIS A 51 20.439 -1.857 21.077 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.420 0.356 20.807 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.913 -1.139 21.568 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.885 2.022 22.575 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.243 -1.801 23.626 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.929 2.236 24.879 1.00 0.00 H new ATOM 749 N LYS A 52 18.333 -1.791 18.527 1.00 0.00 N ATOM 750 CA LYS A 52 17.489 -2.612 17.648 1.00 0.00 C ATOM 751 C LYS A 52 16.384 -3.316 18.441 1.00 0.00 C ATOM 752 O LYS A 52 16.081 -4.485 18.201 1.00 0.00 O ATOM 753 CB LYS A 52 18.330 -3.656 16.901 1.00 0.00 C ATOM 754 CG LYS A 52 19.480 -3.067 16.100 1.00 0.00 C ATOM 755 CD LYS A 52 20.245 -4.140 15.340 1.00 0.00 C ATOM 756 CE LYS A 52 20.839 -5.180 16.277 1.00 0.00 C ATOM 757 NZ LYS A 52 21.611 -6.212 15.537 1.00 0.00 N ATOM 0 H LYS A 52 18.406 -0.815 18.239 1.00 0.00 H new ATOM 0 HA LYS A 52 17.027 -1.942 16.923 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.731 -4.368 17.622 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.681 -4.216 16.227 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.093 -2.329 15.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.160 -2.542 16.771 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.577 -4.629 14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.042 -3.676 14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.490 -4.688 17.000 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.039 -5.659 16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.000 -6.903 16.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.984 -6.698 14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.389 -5.758 15.018 1.00 0.00 H new ATOM 771 N HIS A 53 15.756 -2.592 19.363 1.00 0.00 N ATOM 772 CA HIS A 53 14.765 -3.195 20.255 1.00 0.00 C ATOM 773 C HIS A 53 13.509 -3.608 19.488 1.00 0.00 C ATOM 774 O HIS A 53 12.779 -4.496 19.919 1.00 0.00 O ATOM 775 CB HIS A 53 14.395 -2.236 21.397 1.00 0.00 C ATOM 776 CG HIS A 53 13.685 -2.910 22.540 1.00 0.00 C ATOM 777 ND1 HIS A 53 12.676 -2.316 23.277 1.00 0.00 N ATOM 778 CD2 HIS A 53 13.866 -4.139 23.084 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.273 -3.153 24.217 1.00 0.00 C ATOM 780 NE2 HIS A 53 12.977 -4.263 24.121 1.00 0.00 N ATOM 0 H HIS A 53 15.912 -1.595 19.513 1.00 0.00 H new ATOM 0 HA HIS A 53 15.215 -4.090 20.685 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.302 -1.763 21.772 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.761 -1.442 21.003 1.00 0.00 H new ATOM 0 HD1 HIS A 53 12.302 -1.380 23.120 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.579 -4.883 22.760 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.497 -2.960 24.942 1.00 0.00 H new ATOM 789 N ALA A 54 13.267 -2.973 18.346 1.00 0.00 N ATOM 790 CA ALA A 54 12.081 -3.268 17.549 1.00 0.00 C ATOM 791 C ALA A 54 12.216 -4.598 16.814 1.00 0.00 C ATOM 792 O ALA A 54 11.243 -5.343 16.681 1.00 0.00 O ATOM 793 CB ALA A 54 11.813 -2.149 16.557 1.00 0.00 C ATOM 0 H ALA A 54 13.873 -2.253 17.952 1.00 0.00 H new ATOM 0 HA ALA A 54 11.237 -3.346 18.234 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.925 -2.387 15.972 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.653 -1.215 17.096 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.669 -2.041 15.890 1.00 0.00 H new ATOM 799 N THR A 55 13.416 -4.892 16.333 1.00 0.00 N ATOM 800 CA THR A 55 13.658 -6.125 15.600 1.00 0.00 C ATOM 801 C THR A 55 13.826 -7.300 16.555 1.00 0.00 C ATOM 802 O THR A 55 13.276 -8.382 16.329 1.00 0.00 O ATOM 803 CB THR A 55 14.900 -6.002 14.699 1.00 0.00 C ATOM 804 OG1 THR A 55 15.989 -5.445 15.441 1.00 0.00 O ATOM 805 CG2 THR A 55 14.612 -5.128 13.491 1.00 0.00 C ATOM 0 H THR A 55 14.236 -4.294 16.437 1.00 0.00 H new ATOM 0 HA THR A 55 12.788 -6.306 14.968 1.00 0.00 H new ATOM 0 HB THR A 55 15.165 -7.000 14.351 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.820 -5.905 15.198 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.506 -5.058 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.801 -5.567 12.910 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.322 -4.131 13.824 1.00 0.00 H new ATOM 813 N ARG A 56 14.575 -7.073 17.631 1.00 0.00 N ATOM 814 CA ARG A 56 14.790 -8.091 18.655 1.00 0.00 C ATOM 815 C ARG A 56 13.471 -8.496 19.302 1.00 0.00 C ATOM 816 O ARG A 56 13.275 -9.659 19.659 1.00 0.00 O ATOM 817 CB ARG A 56 15.755 -7.578 19.723 1.00 0.00 C ATOM 818 CG ARG A 56 17.178 -7.388 19.224 1.00 0.00 C ATOM 819 CD ARG A 56 18.082 -6.844 20.318 1.00 0.00 C ATOM 820 NE ARG A 56 18.030 -7.663 21.528 1.00 0.00 N ATOM 821 CZ ARG A 56 19.076 -8.302 22.046 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.262 -8.234 21.452 1.00 0.00 N ATOM 823 NH2 ARG A 56 18.933 -9.017 23.154 1.00 0.00 N ATOM 0 H ARG A 56 15.046 -6.187 17.817 1.00 0.00 H new ATOM 0 HA ARG A 56 15.225 -8.967 18.173 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.385 -6.628 20.107 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.763 -8.278 20.558 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.570 -8.340 18.866 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.179 -6.704 18.375 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.108 -6.801 19.953 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.786 -5.823 20.558 1.00 0.00 H new ATOM 0 HE ARG A 56 17.133 -7.750 22.006 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.373 -7.691 20.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.062 -8.725 21.852 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.022 -9.077 23.608 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.734 -9.507 23.552 1.00 0.00 H new ATOM 837 N HIS A 57 12.567 -7.531 19.435 1.00 0.00 N ATOM 838 CA HIS A 57 11.252 -7.778 20.010 1.00 0.00 C ATOM 839 C HIS A 57 10.515 -8.872 19.243 1.00 0.00 C ATOM 840 O HIS A 57 9.876 -9.741 19.842 1.00 0.00 O ATOM 841 CB HIS A 57 10.421 -6.491 20.009 1.00 0.00 C ATOM 842 CG HIS A 57 9.017 -6.688 20.487 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.653 -6.701 21.812 1.00 0.00 N ATOM 844 CD2 HIS A 57 7.881 -6.915 19.782 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.339 -6.933 21.873 1.00 0.00 C ATOM 846 NE2 HIS A 57 6.821 -7.072 20.667 1.00 0.00 N ATOM 0 H HIS A 57 12.724 -6.564 19.150 1.00 0.00 H new ATOM 0 HA HIS A 57 11.392 -8.113 21.038 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.911 -5.751 20.641 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.399 -6.083 18.999 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.275 -6.559 22.607 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.811 -6.966 18.705 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.773 -6.998 22.791 1.00 0.00 H new ATOM 854 N PHE A 58 10.605 -8.821 17.920 1.00 0.00 N ATOM 855 CA PHE A 58 9.933 -9.795 17.072 1.00 0.00 C ATOM 856 C PHE A 58 10.460 -11.200 17.332 1.00 0.00 C ATOM 857 O PHE A 58 9.690 -12.156 17.391 1.00 0.00 O ATOM 858 CB PHE A 58 10.109 -9.435 15.595 1.00 0.00 C ATOM 859 CG PHE A 58 9.762 -10.560 14.661 1.00 0.00 C ATOM 860 CD1 PHE A 58 8.483 -11.083 14.619 1.00 0.00 C ATOM 861 CD2 PHE A 58 10.724 -11.098 13.831 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.171 -12.121 13.766 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.420 -12.134 12.973 1.00 0.00 C ATOM 864 CZ PHE A 58 9.141 -12.647 12.941 1.00 0.00 C ATOM 0 H PHE A 58 11.137 -8.115 17.412 1.00 0.00 H new ATOM 0 HA PHE A 58 8.871 -9.774 17.316 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.484 -8.573 15.362 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.143 -9.135 15.422 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.718 -10.674 15.262 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.729 -10.702 13.854 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.168 -12.521 13.745 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.183 -12.543 12.327 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.900 -13.459 12.271 1.00 0.00 H new ATOM 874 N HIS A 59 11.767 -11.314 17.509 1.00 0.00 N ATOM 875 CA HIS A 59 12.399 -12.611 17.707 1.00 0.00 C ATOM 876 C HIS A 59 11.934 -13.248 19.017 1.00 0.00 C ATOM 877 O HIS A 59 11.917 -14.471 19.153 1.00 0.00 O ATOM 878 CB HIS A 59 13.925 -12.462 17.698 1.00 0.00 C ATOM 879 CG HIS A 59 14.655 -13.767 17.607 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.358 -14.315 18.656 1.00 0.00 N ATOM 881 CD2 HIS A 59 14.790 -14.630 16.574 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.894 -15.459 18.273 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.563 -15.673 17.014 1.00 0.00 N ATOM 0 H HIS A 59 12.412 -10.524 17.520 1.00 0.00 H new ATOM 0 HA HIS A 59 12.104 -13.266 16.887 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.215 -11.834 16.856 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.236 -11.944 18.605 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.367 -14.518 15.586 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.500 -16.109 18.886 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.838 -16.483 16.458 1.00 0.00 H new ATOM 892 N ALA A 60 11.548 -12.409 19.970 1.00 0.00 N ATOM 893 CA ALA A 60 11.133 -12.881 21.285 1.00 0.00 C ATOM 894 C ALA A 60 9.630 -13.161 21.351 1.00 0.00 C ATOM 895 O ALA A 60 9.205 -14.198 21.863 1.00 0.00 O ATOM 896 CB ALA A 60 11.526 -11.863 22.345 1.00 0.00 C ATOM 0 H ALA A 60 11.514 -11.396 19.856 1.00 0.00 H new ATOM 0 HA ALA A 60 11.645 -13.825 21.474 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.214 -12.220 23.326 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.607 -11.727 22.336 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.039 -10.911 22.134 1.00 0.00 H new ATOM 902 N THR A 61 8.824 -12.240 20.836 1.00 0.00 N ATOM 903 CA THR A 61 7.373 -12.346 20.966 1.00 0.00 C ATOM 904 C THR A 61 6.727 -13.031 19.766 1.00 0.00 C ATOM 905 O THR A 61 5.629 -13.580 19.875 1.00 0.00 O ATOM 906 CB THR A 61 6.722 -10.963 21.151 1.00 0.00 C ATOM 907 OG1 THR A 61 7.206 -10.055 20.152 1.00 0.00 O ATOM 908 CG2 THR A 61 7.001 -10.403 22.538 1.00 0.00 C ATOM 0 H THR A 61 9.146 -11.416 20.328 1.00 0.00 H new ATOM 0 HA THR A 61 7.201 -12.958 21.852 1.00 0.00 H new ATOM 0 HB THR A 61 5.644 -11.081 21.043 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.899 -9.148 20.358 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.528 -9.426 22.638 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.598 -11.080 23.291 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.077 -10.302 22.680 1.00 0.00 H new ATOM 916 N GLY A 62 7.399 -12.995 18.626 1.00 0.00 N ATOM 917 CA GLY A 62 6.820 -13.541 17.416 1.00 0.00 C ATOM 918 C GLY A 62 5.767 -12.621 16.828 1.00 0.00 C ATOM 919 O GLY A 62 4.790 -13.077 16.239 1.00 0.00 O ATOM 0 H GLY A 62 8.332 -12.599 18.516 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.607 -13.709 16.681 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.374 -14.512 17.633 1.00 0.00 H new ATOM 923 N HIS A 63 5.970 -11.317 16.993 1.00 0.00 N ATOM 924 CA HIS A 63 5.035 -10.320 16.476 1.00 0.00 C ATOM 925 C HIS A 63 5.600 -9.715 15.195 1.00 0.00 C ATOM 926 O HIS A 63 6.438 -8.813 15.241 1.00 0.00 O ATOM 927 CB HIS A 63 4.765 -9.221 17.516 1.00 0.00 C ATOM 928 CG HIS A 63 3.973 -9.675 18.714 1.00 0.00 C ATOM 929 ND1 HIS A 63 3.146 -10.740 18.852 1.00 0.00 N flip ATOM 930 CD2 HIS A 63 3.978 -8.962 19.891 1.00 0.00 C flip ATOM 931 CE1 HIS A 63 2.630 -10.684 20.125 1.00 0.00 C flip ATOM 932 NE2 HIS A 63 3.161 -9.598 20.707 1.00 0.00 N flip ATOM 0 H HIS A 63 6.775 -10.925 17.481 1.00 0.00 H new ATOM 0 HA HIS A 63 4.085 -10.809 16.259 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.719 -8.820 17.858 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.231 -8.404 17.032 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.945 -11.448 18.146 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.538 -8.063 20.103 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.933 -11.379 20.570 1.00 0.00 H new ATOM 940 N PRO A 64 5.150 -10.216 14.034 1.00 0.00 N ATOM 941 CA PRO A 64 5.792 -9.952 12.744 1.00 0.00 C ATOM 942 C PRO A 64 5.373 -8.649 12.066 1.00 0.00 C ATOM 943 O PRO A 64 5.713 -8.429 10.904 1.00 0.00 O ATOM 944 CB PRO A 64 5.333 -11.142 11.908 1.00 0.00 C ATOM 945 CG PRO A 64 3.971 -11.458 12.424 1.00 0.00 C ATOM 946 CD PRO A 64 3.972 -11.094 13.887 1.00 0.00 C ATOM 0 HA PRO A 64 6.869 -9.838 12.863 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.308 -10.895 10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.007 -11.991 12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.211 -10.893 11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.740 -12.514 12.287 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.053 -10.581 14.172 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.052 -11.979 14.519 1.00 0.00 H new ATOM 954 N ILE A 65 4.639 -7.790 12.760 1.00 0.00 N ATOM 955 CA ILE A 65 4.217 -6.531 12.157 1.00 0.00 C ATOM 956 C ILE A 65 4.482 -5.344 13.073 1.00 0.00 C ATOM 957 O ILE A 65 4.089 -5.331 14.245 1.00 0.00 O ATOM 958 CB ILE A 65 2.725 -6.538 11.751 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.464 -7.617 10.696 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.311 -5.168 11.224 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.048 -7.624 10.163 1.00 0.00 C ATOM 0 H ILE A 65 4.328 -7.935 13.721 1.00 0.00 H new ATOM 0 HA ILE A 65 4.819 -6.425 11.254 1.00 0.00 H new ATOM 0 HB ILE A 65 2.127 -6.765 12.634 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.154 -7.473 9.865 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.684 -8.594 11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.258 -5.189 10.942 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.464 -4.418 12.000 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.915 -4.916 10.352 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.942 -8.415 9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.352 -7.800 10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.829 -6.662 9.701 1.00 0.00 H new ATOM 973 N ILE A 66 5.160 -4.354 12.516 1.00 0.00 N ATOM 974 CA ILE A 66 5.433 -3.109 13.210 1.00 0.00 C ATOM 975 C ILE A 66 4.975 -1.930 12.367 1.00 0.00 C ATOM 976 O ILE A 66 4.886 -2.034 11.145 1.00 0.00 O ATOM 977 CB ILE A 66 6.935 -2.963 13.541 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.804 -3.250 12.308 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.314 -3.883 14.688 1.00 0.00 C ATOM 980 CD1 ILE A 66 8.070 -2.038 11.442 1.00 0.00 C ATOM 0 H ILE A 66 5.536 -4.392 11.569 1.00 0.00 H new ATOM 0 HA ILE A 66 4.879 -3.123 14.149 1.00 0.00 H new ATOM 0 HB ILE A 66 7.117 -1.932 13.845 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.757 -3.664 12.637 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.316 -4.015 11.704 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.375 -3.769 14.910 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.729 -3.624 15.570 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.111 -4.917 14.408 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.690 -2.326 10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.124 -1.635 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.587 -1.279 12.028 1.00 0.00 H new ATOM 992 N GLU A 67 4.677 -0.825 13.022 1.00 0.00 N ATOM 993 CA GLU A 67 4.264 0.385 12.335 1.00 0.00 C ATOM 994 C GLU A 67 5.262 1.506 12.604 1.00 0.00 C ATOM 995 O GLU A 67 5.800 1.615 13.709 1.00 0.00 O ATOM 996 CB GLU A 67 2.854 0.782 12.791 1.00 0.00 C ATOM 997 CG GLU A 67 2.385 2.135 12.282 1.00 0.00 C ATOM 998 CD GLU A 67 0.932 2.404 12.611 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.536 2.237 13.786 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.176 2.777 11.698 1.00 0.00 O ATOM 0 H GLU A 67 4.714 -0.739 14.038 1.00 0.00 H new ATOM 0 HA GLU A 67 4.241 0.203 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.150 0.019 12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.826 0.788 13.881 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.004 2.919 12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.525 2.182 11.202 1.00 0.00 H new ATOM 1007 N GLY A 68 5.532 2.310 11.583 1.00 0.00 N ATOM 1008 CA GLY A 68 6.424 3.442 11.742 1.00 0.00 C ATOM 1009 C GLY A 68 5.817 4.500 12.636 1.00 0.00 C ATOM 1010 O GLY A 68 4.850 5.156 12.256 1.00 0.00 O ATOM 0 H GLY A 68 5.148 2.197 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.370 3.105 12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.646 3.872 10.765 1.00 0.00 H new ATOM 1014 N TYR A 69 6.384 4.666 13.821 1.00 0.00 N ATOM 1015 CA TYR A 69 5.790 5.534 14.827 1.00 0.00 C ATOM 1016 C TYR A 69 6.408 6.931 14.802 1.00 0.00 C ATOM 1017 O TYR A 69 5.738 7.920 15.108 1.00 0.00 O ATOM 1018 CB TYR A 69 5.944 4.903 16.213 1.00 0.00 C ATOM 1019 CG TYR A 69 5.043 5.514 17.260 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.662 5.428 17.144 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.570 6.177 18.359 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.832 5.985 18.094 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.744 6.737 19.314 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.378 6.639 19.176 1.00 0.00 C ATOM 1025 OH TYR A 69 2.554 7.196 20.124 1.00 0.00 O ATOM 0 H TYR A 69 7.251 4.213 14.109 1.00 0.00 H new ATOM 0 HA TYR A 69 4.730 5.643 14.597 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.733 3.836 16.142 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.981 5.003 16.535 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.231 4.917 16.296 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.641 6.256 18.469 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.760 5.909 17.990 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.168 7.249 20.165 1.00 0.00 H new ATOM 0 HH TYR A 69 2.989 7.154 21.001 1.00 0.00 H new ATOM 1035 N ASP A 70 7.684 7.019 14.435 1.00 0.00 N ATOM 1036 CA ASP A 70 8.359 8.315 14.369 1.00 0.00 C ATOM 1037 C ASP A 70 8.055 9.064 13.056 1.00 0.00 C ATOM 1038 O ASP A 70 7.954 10.294 13.077 1.00 0.00 O ATOM 1039 CB ASP A 70 9.879 8.189 14.588 1.00 0.00 C ATOM 1040 CG ASP A 70 10.637 7.681 13.378 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.660 6.450 13.166 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.223 8.506 12.648 1.00 0.00 O ATOM 0 H ASP A 70 8.266 6.221 14.182 1.00 0.00 H new ATOM 0 HA ASP A 70 7.955 8.909 15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.277 9.164 14.870 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.060 7.516 15.426 1.00 0.00 H new ATOM 1047 N PRO A 71 7.900 8.377 11.891 1.00 0.00 N ATOM 1048 CA PRO A 71 7.500 9.038 10.659 1.00 0.00 C ATOM 1049 C PRO A 71 5.985 9.186 10.589 1.00 0.00 C ATOM 1050 O PRO A 71 5.256 8.196 10.672 1.00 0.00 O ATOM 1051 CB PRO A 71 8.002 8.102 9.546 1.00 0.00 C ATOM 1052 CG PRO A 71 8.608 6.919 10.236 1.00 0.00 C ATOM 1053 CD PRO A 71 8.105 6.945 11.648 1.00 0.00 C ATOM 0 HA PRO A 71 7.910 10.045 10.578 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.182 7.796 8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.737 8.604 8.917 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.322 5.992 9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.696 6.971 10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.180 6.379 11.759 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.827 6.516 12.343 1.00 0.00 H new ATOM 1061 N PRO A 72 5.489 10.424 10.435 1.00 0.00 N ATOM 1062 CA PRO A 72 4.048 10.719 10.409 1.00 0.00 C ATOM 1063 C PRO A 72 3.363 10.238 9.125 1.00 0.00 C ATOM 1064 O PRO A 72 2.477 10.910 8.594 1.00 0.00 O ATOM 1065 CB PRO A 72 3.994 12.255 10.493 1.00 0.00 C ATOM 1066 CG PRO A 72 5.377 12.696 10.833 1.00 0.00 C ATOM 1067 CD PRO A 72 6.291 11.644 10.287 1.00 0.00 C ATOM 0 HA PRO A 72 3.523 10.209 11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.668 12.686 9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.283 12.580 11.253 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.595 13.669 10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.500 12.798 11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.554 11.834 9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.225 11.587 10.846 1.00 0.00 H new ATOM 1075 N GLU A 73 3.757 9.065 8.654 1.00 0.00 N ATOM 1076 CA GLU A 73 3.232 8.512 7.415 1.00 0.00 C ATOM 1077 C GLU A 73 2.126 7.505 7.702 1.00 0.00 C ATOM 1078 O GLU A 73 1.022 7.610 7.170 1.00 0.00 O ATOM 1079 CB GLU A 73 4.349 7.824 6.636 1.00 0.00 C ATOM 1080 CG GLU A 73 5.575 8.692 6.426 1.00 0.00 C ATOM 1081 CD GLU A 73 6.695 7.942 5.743 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.475 7.265 6.442 1.00 0.00 O ATOM 1083 OE2 GLU A 73 6.796 8.019 4.501 1.00 0.00 O ATOM 0 H GLU A 73 4.446 8.472 9.117 1.00 0.00 H new ATOM 0 HA GLU A 73 2.822 9.330 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.643 6.918 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.964 7.514 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.304 9.562 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.924 9.064 7.389 1.00 0.00 H new ATOM 1090 N GLY A 74 2.433 6.532 8.553 1.00 0.00 N ATOM 1091 CA GLY A 74 1.483 5.478 8.851 1.00 0.00 C ATOM 1092 C GLY A 74 1.644 4.289 7.925 1.00 0.00 C ATOM 1093 O GLY A 74 0.955 4.185 6.910 1.00 0.00 O ATOM 0 H GLY A 74 3.325 6.455 9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.614 5.154 9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.469 5.869 8.766 1.00 0.00 H new ATOM 1097 N TRP A 75 2.561 3.396 8.267 1.00 0.00 N ATOM 1098 CA TRP A 75 2.820 2.212 7.459 1.00 0.00 C ATOM 1099 C TRP A 75 3.227 1.037 8.333 1.00 0.00 C ATOM 1100 O TRP A 75 3.695 1.220 9.456 1.00 0.00 O ATOM 1101 CB TRP A 75 3.899 2.485 6.404 1.00 0.00 C ATOM 1102 CG TRP A 75 5.120 3.190 6.923 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.398 4.519 6.799 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.234 2.610 7.626 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.608 4.806 7.375 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.141 3.654 7.893 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.554 1.315 8.057 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.341 3.445 8.568 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.745 1.111 8.727 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.626 2.171 8.976 1.00 0.00 C ATOM 0 H TRP A 75 3.141 3.469 9.103 1.00 0.00 H new ATOM 0 HA TRP A 75 1.894 1.958 6.943 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.204 1.536 5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.463 3.084 5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.757 5.242 6.316 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.042 5.728 7.412 1.00 0.00 H new ATOM 0 HE3 TRP A 75 5.881 0.491 7.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.022 4.260 8.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.001 0.117 9.064 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.550 1.978 9.501 1.00 0.00 H new ATOM 1121 N GLY A 76 3.054 -0.162 7.801 1.00 0.00 N ATOM 1122 CA GLY A 76 3.381 -1.362 8.534 1.00 0.00 C ATOM 1123 C GLY A 76 4.356 -2.243 7.781 1.00 0.00 C ATOM 1124 O GLY A 76 4.300 -2.345 6.553 1.00 0.00 O ATOM 0 H GLY A 76 2.688 -0.324 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.809 -1.091 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.468 -1.923 8.736 1.00 0.00 H new ATOM 1128 N TRP A 77 5.253 -2.874 8.516 1.00 0.00 N ATOM 1129 CA TRP A 77 6.249 -3.754 7.930 1.00 0.00 C ATOM 1130 C TRP A 77 6.093 -5.162 8.492 1.00 0.00 C ATOM 1131 O TRP A 77 6.034 -5.352 9.709 1.00 0.00 O ATOM 1132 CB TRP A 77 7.651 -3.203 8.216 1.00 0.00 C ATOM 1133 CG TRP A 77 8.779 -4.072 7.742 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.396 -5.069 8.442 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.442 -4.004 6.474 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.391 -5.632 7.683 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.439 -4.996 6.472 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.286 -3.205 5.339 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.276 -5.208 5.379 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.118 -3.417 4.255 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.101 -4.412 4.283 1.00 0.00 C ATOM 0 H TRP A 77 5.312 -2.792 9.531 1.00 0.00 H new ATOM 0 HA TRP A 77 6.107 -3.801 6.850 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.744 -2.224 7.746 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.754 -3.052 9.291 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.138 -5.370 9.447 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.996 -6.400 7.974 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.529 -2.435 5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.036 -5.975 5.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.007 -2.804 3.372 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.735 -4.554 3.420 1.00 0.00 H new ATOM 1152 N CYS A 78 6.006 -6.141 7.604 1.00 0.00 N ATOM 1153 CA CYS A 78 5.872 -7.532 8.013 1.00 0.00 C ATOM 1154 C CYS A 78 7.240 -8.207 7.964 1.00 0.00 C ATOM 1155 O CYS A 78 7.754 -8.483 6.886 1.00 0.00 O ATOM 1156 CB CYS A 78 4.877 -8.260 7.100 1.00 0.00 C ATOM 1157 SG CYS A 78 3.663 -9.300 7.982 1.00 0.00 S ATOM 0 H CYS A 78 6.026 -5.998 6.594 1.00 0.00 H new ATOM 0 HA CYS A 78 5.490 -7.575 9.033 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.340 -7.520 6.506 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.434 -8.886 6.402 1.00 0.00 H new ATOM 0 HG CYS A 78 3.896 -10.553 7.724 1.00 0.00 H new ATOM 1162 N TYR A 79 7.816 -8.462 9.138 1.00 0.00 N ATOM 1163 CA TYR A 79 9.199 -8.942 9.263 1.00 0.00 C ATOM 1164 C TYR A 79 9.502 -10.168 8.399 1.00 0.00 C ATOM 1165 O TYR A 79 10.367 -10.113 7.529 1.00 0.00 O ATOM 1166 CB TYR A 79 9.525 -9.258 10.724 1.00 0.00 C ATOM 1167 CG TYR A 79 9.827 -8.037 11.563 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.018 -7.344 11.396 1.00 0.00 C ATOM 1169 CD2 TYR A 79 8.935 -7.586 12.528 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.313 -6.235 12.163 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.223 -6.475 13.299 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.414 -5.803 13.112 1.00 0.00 C ATOM 1173 OH TYR A 79 10.710 -4.697 13.881 1.00 0.00 O ATOM 0 H TYR A 79 7.340 -8.343 10.032 1.00 0.00 H new ATOM 0 HA TYR A 79 9.830 -8.131 8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.684 -9.792 11.166 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.382 -9.931 10.757 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.727 -7.678 10.653 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.003 -8.111 12.678 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.245 -5.708 12.019 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.519 -6.135 14.044 1.00 0.00 H new ATOM 0 HH TYR A 79 10.767 -4.960 14.823 1.00 0.00 H new ATOM 1183 N VAL A 80 8.803 -11.272 8.645 1.00 0.00 N ATOM 1184 CA VAL A 80 9.081 -12.529 7.943 1.00 0.00 C ATOM 1185 C VAL A 80 8.784 -12.434 6.448 1.00 0.00 C ATOM 1186 O VAL A 80 9.295 -13.220 5.651 1.00 0.00 O ATOM 1187 CB VAL A 80 8.286 -13.708 8.540 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.846 -14.099 9.897 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.809 -13.362 8.654 1.00 0.00 C ATOM 0 H VAL A 80 8.042 -11.326 9.322 1.00 0.00 H new ATOM 0 HA VAL A 80 10.147 -12.713 8.077 1.00 0.00 H new ATOM 0 HB VAL A 80 8.387 -14.559 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.271 -14.932 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.889 -14.396 9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.780 -13.249 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.269 -14.209 9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.688 -12.494 9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.411 -13.136 7.665 1.00 0.00 H new ATOM 1199 N ASP A 81 7.951 -11.477 6.075 1.00 0.00 N ATOM 1200 CA ASP A 81 7.571 -11.296 4.680 1.00 0.00 C ATOM 1201 C ASP A 81 8.541 -10.352 3.991 1.00 0.00 C ATOM 1202 O ASP A 81 8.780 -10.457 2.788 1.00 0.00 O ATOM 1203 CB ASP A 81 6.160 -10.716 4.574 1.00 0.00 C ATOM 1204 CG ASP A 81 5.123 -11.529 5.316 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.149 -11.520 6.562 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.255 -12.131 4.662 1.00 0.00 O ATOM 0 H ASP A 81 7.523 -10.811 6.718 1.00 0.00 H new ATOM 0 HA ASP A 81 7.597 -12.272 4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.162 -9.699 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.878 -10.653 3.523 1.00 0.00 H new ATOM 1211 N GLU A 82 9.081 -9.424 4.778 1.00 0.00 N ATOM 1212 CA GLU A 82 9.957 -8.368 4.281 1.00 0.00 C ATOM 1213 C GLU A 82 9.217 -7.481 3.281 1.00 0.00 C ATOM 1214 O GLU A 82 9.819 -6.880 2.391 1.00 0.00 O ATOM 1215 CB GLU A 82 11.234 -8.954 3.671 1.00 0.00 C ATOM 1216 CG GLU A 82 12.051 -9.755 4.673 1.00 0.00 C ATOM 1217 CD GLU A 82 13.406 -10.162 4.143 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.476 -11.121 3.347 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.414 -9.526 4.528 1.00 0.00 O ATOM 0 H GLU A 82 8.921 -9.384 5.785 1.00 0.00 H new ATOM 0 HA GLU A 82 10.254 -7.745 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.969 -9.595 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.846 -8.144 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.185 -9.164 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.494 -10.649 4.955 1.00 0.00 H new ATOM 1226 N VAL A 83 7.903 -7.388 3.456 1.00 0.00 N ATOM 1227 CA VAL A 83 7.081 -6.524 2.624 1.00 0.00 C ATOM 1228 C VAL A 83 6.558 -5.344 3.431 1.00 0.00 C ATOM 1229 O VAL A 83 6.258 -5.470 4.626 1.00 0.00 O ATOM 1230 CB VAL A 83 5.888 -7.272 1.982 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.376 -8.400 1.091 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.928 -7.800 3.040 1.00 0.00 C ATOM 0 H VAL A 83 7.386 -7.903 4.169 1.00 0.00 H new ATOM 0 HA VAL A 83 7.724 -6.170 1.819 1.00 0.00 H new ATOM 0 HB VAL A 83 5.343 -6.557 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.520 -8.912 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.003 -7.992 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.956 -9.107 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.102 -8.320 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.455 -8.491 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.539 -6.967 3.626 1.00 0.00 H new ATOM 1242 N MET A 84 6.467 -4.204 2.775 1.00 0.00 N ATOM 1243 CA MET A 84 5.980 -2.987 3.397 1.00 0.00 C ATOM 1244 C MET A 84 4.625 -2.610 2.815 1.00 0.00 C ATOM 1245 O MET A 84 4.410 -2.712 1.605 1.00 0.00 O ATOM 1246 CB MET A 84 6.988 -1.857 3.168 1.00 0.00 C ATOM 1247 CG MET A 84 6.602 -0.528 3.795 1.00 0.00 C ATOM 1248 SD MET A 84 7.802 0.767 3.422 1.00 0.00 S ATOM 1249 CE MET A 84 7.003 2.197 4.140 1.00 0.00 C ATOM 0 H MET A 84 6.729 -4.095 1.795 1.00 0.00 H new ATOM 0 HA MET A 84 5.864 -3.151 4.468 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.955 -2.164 3.566 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.116 -1.714 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.619 -0.227 3.432 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.520 -0.647 4.875 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.983 3.007 3.411 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.983 1.939 4.425 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.556 2.518 5.023 1.00 0.00 H new ATOM 1259 N PHE A 85 3.714 -2.196 3.678 1.00 0.00 N ATOM 1260 CA PHE A 85 2.396 -1.748 3.257 1.00 0.00 C ATOM 1261 C PHE A 85 1.976 -0.557 4.104 1.00 0.00 C ATOM 1262 O PHE A 85 2.395 -0.438 5.252 1.00 0.00 O ATOM 1263 CB PHE A 85 1.371 -2.888 3.370 1.00 0.00 C ATOM 1264 CG PHE A 85 1.321 -3.546 4.724 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.140 -4.628 5.015 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.455 -3.086 5.703 1.00 0.00 C ATOM 1267 CE1 PHE A 85 2.095 -5.236 6.257 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.406 -3.690 6.945 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.227 -4.766 7.222 1.00 0.00 C ATOM 0 H PHE A 85 3.865 -2.160 4.686 1.00 0.00 H new ATOM 0 HA PHE A 85 2.438 -1.445 2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.382 -2.496 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.602 -3.644 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.820 -5.000 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.189 -2.245 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.738 -6.077 6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.274 -3.321 7.699 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.190 -5.239 8.192 1.00 0.00 H new ATOM 1279 N ASP A 86 1.177 0.336 3.545 1.00 0.00 N ATOM 1280 CA ASP A 86 0.764 1.526 4.280 1.00 0.00 C ATOM 1281 C ASP A 86 -0.432 1.221 5.173 1.00 0.00 C ATOM 1282 O ASP A 86 -1.181 0.272 4.935 1.00 0.00 O ATOM 1283 CB ASP A 86 0.427 2.684 3.332 1.00 0.00 C ATOM 1284 CG ASP A 86 -0.975 2.597 2.761 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.168 1.892 1.749 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -1.889 3.247 3.312 1.00 0.00 O ATOM 0 H ASP A 86 0.804 0.265 2.598 1.00 0.00 H new ATOM 0 HA ASP A 86 1.604 1.830 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.537 3.627 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.146 2.696 2.513 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.596 2.031 6.203 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.701 1.892 7.135 1.00 0.00 C ATOM 1293 C LEU A 87 -2.439 3.217 7.250 1.00 0.00 C ATOM 1294 O LEU A 87 -2.784 3.644 8.340 1.00 0.00 O ATOM 1295 CB LEU A 87 -1.186 1.462 8.515 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.621 0.042 8.596 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.033 -0.219 9.974 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.702 -0.980 8.287 1.00 0.00 C ATOM 0 H LEU A 87 0.033 2.804 6.417 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.382 1.127 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.410 2.161 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.003 1.551 9.232 1.00 0.00 H new ATOM 0 HG LEU A 87 0.172 -0.053 7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.364 -1.233 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.769 0.493 10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.811 -0.104 10.729 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.282 -1.984 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.513 -0.881 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.087 -0.810 7.282 1.00 0.00 H new ATOM 1310 N SER A 88 -2.705 3.840 6.109 1.00 0.00 N ATOM 1311 CA SER A 88 -3.277 5.187 6.057 1.00 0.00 C ATOM 1312 C SER A 88 -4.483 5.374 6.987 1.00 0.00 C ATOM 1313 O SER A 88 -4.581 6.385 7.682 1.00 0.00 O ATOM 1314 CB SER A 88 -3.665 5.509 4.615 1.00 0.00 C ATOM 1315 OG SER A 88 -4.171 4.353 3.962 1.00 0.00 O ATOM 0 H SER A 88 -2.532 3.429 5.192 1.00 0.00 H new ATOM 0 HA SER A 88 -2.513 5.878 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.417 6.298 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.797 5.887 4.075 1.00 0.00 H new ATOM 0 HG SER A 88 -3.469 3.960 3.402 1.00 0.00 H new ATOM 1321 N ASP A 89 -5.390 4.406 7.020 1.00 0.00 N ATOM 1322 CA ASP A 89 -6.587 4.531 7.850 1.00 0.00 C ATOM 1323 C ASP A 89 -6.497 3.690 9.116 1.00 0.00 C ATOM 1324 O ASP A 89 -7.459 3.597 9.874 1.00 0.00 O ATOM 1325 CB ASP A 89 -7.840 4.147 7.064 1.00 0.00 C ATOM 1326 CG ASP A 89 -8.248 5.205 6.064 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -8.964 6.150 6.455 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -7.859 5.096 4.883 1.00 0.00 O ATOM 0 H ASP A 89 -5.324 3.536 6.491 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.655 5.578 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.662 3.208 6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.661 3.974 7.759 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.346 3.081 9.351 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.146 2.284 10.556 1.00 0.00 C ATOM 1335 C ARG A 90 -4.069 2.907 11.431 1.00 0.00 C ATOM 1336 O ARG A 90 -3.875 2.495 12.574 1.00 0.00 O ATOM 1337 CB ARG A 90 -4.731 0.851 10.210 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.730 0.088 9.356 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.305 -1.364 9.201 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.159 -2.105 8.274 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.523 -3.375 8.453 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -6.142 -4.030 9.542 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -7.267 -3.992 7.542 1.00 0.00 N ATOM 0 H ARG A 90 -4.539 3.121 8.729 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.094 2.261 11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.775 0.881 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.571 0.300 11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.718 0.136 9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.809 0.556 8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.274 -1.401 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.326 -1.851 10.176 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.496 -1.622 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.569 -3.562 10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.422 -5.002 9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.562 -3.494 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.544 -4.964 7.682 1.00 0.00 H new ATOM 1357 N MET A 91 -3.387 3.904 10.878 1.00 0.00 N ATOM 1358 CA MET A 91 -2.191 4.483 11.485 1.00 0.00 C ATOM 1359 C MET A 91 -2.441 5.000 12.893 1.00 0.00 C ATOM 1360 O MET A 91 -3.480 5.606 13.180 1.00 0.00 O ATOM 1361 CB MET A 91 -1.636 5.608 10.604 1.00 0.00 C ATOM 1362 CG MET A 91 -2.608 6.753 10.377 1.00 0.00 C ATOM 1363 SD MET A 91 -1.904 8.082 9.380 1.00 0.00 S ATOM 1364 CE MET A 91 -0.549 8.611 10.428 1.00 0.00 C ATOM 0 H MET A 91 -3.648 4.336 9.992 1.00 0.00 H new ATOM 0 HA MET A 91 -1.456 3.681 11.561 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.729 6.001 11.063 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.350 5.191 9.638 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.503 6.372 9.886 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.920 7.155 11.341 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.486 9.699 10.420 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.721 8.265 11.447 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.385 8.191 10.055 1.00 0.00 H new ATOM 1374 N THR A 92 -1.479 4.746 13.764 1.00 0.00 N ATOM 1375 CA THR A 92 -1.544 5.195 15.142 1.00 0.00 C ATOM 1376 C THR A 92 -0.829 6.533 15.301 1.00 0.00 C ATOM 1377 O THR A 92 0.379 6.627 15.082 1.00 0.00 O ATOM 1378 CB THR A 92 -0.892 4.168 16.088 1.00 0.00 C ATOM 1379 OG1 THR A 92 -1.298 2.844 15.725 1.00 0.00 O ATOM 1380 CG2 THR A 92 -1.275 4.438 17.536 1.00 0.00 C ATOM 0 H THR A 92 -0.633 4.224 13.535 1.00 0.00 H new ATOM 0 HA THR A 92 -2.597 5.306 15.402 1.00 0.00 H new ATOM 0 HB THR A 92 0.190 4.259 15.993 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.629 2.449 15.128 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.801 3.699 18.182 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.941 5.436 17.821 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.358 4.373 17.644 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.564 7.590 15.667 1.00 0.00 N ATOM 1389 CA PRO A 93 -0.969 8.893 15.946 1.00 0.00 C ATOM 1390 C PRO A 93 -0.188 8.858 17.250 1.00 0.00 C ATOM 1391 O PRO A 93 -0.566 8.135 18.178 1.00 0.00 O ATOM 1392 CB PRO A 93 -2.171 9.839 16.073 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.365 9.051 15.641 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.020 7.604 15.841 1.00 0.00 C ATOM 0 HA PRO A 93 -0.268 9.203 15.171 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.285 10.189 17.099 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.040 10.722 15.448 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.242 9.325 16.227 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.604 9.251 14.597 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.313 7.251 16.830 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.520 6.965 15.114 1.00 0.00 H new ATOM 1402 N HIS A 94 0.894 9.625 17.330 1.00 0.00 N ATOM 1403 CA HIS A 94 1.697 9.653 18.547 1.00 0.00 C ATOM 1404 C HIS A 94 0.871 10.172 19.718 1.00 0.00 C ATOM 1405 O HIS A 94 0.201 11.201 19.620 1.00 0.00 O ATOM 1406 CB HIS A 94 3.000 10.458 18.376 1.00 0.00 C ATOM 1407 CG HIS A 94 2.843 11.864 17.872 1.00 0.00 C ATOM 1408 ND1 HIS A 94 3.261 12.257 16.620 1.00 0.00 N ATOM 1409 CD2 HIS A 94 2.355 12.978 18.466 1.00 0.00 C ATOM 1410 CE1 HIS A 94 3.037 13.547 16.466 1.00 0.00 C ATOM 1411 NE2 HIS A 94 2.488 14.009 17.571 1.00 0.00 N ATOM 0 H HIS A 94 1.232 10.227 16.579 1.00 0.00 H new ATOM 0 HA HIS A 94 1.997 8.628 18.762 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.511 10.493 19.338 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.651 9.917 17.689 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.938 13.043 19.460 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.265 14.127 15.584 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.208 14.976 17.734 1.00 0.00 H new ATOM 1420 N ASN A 95 0.914 9.439 20.818 1.00 0.00 N ATOM 1421 CA ASN A 95 0.078 9.730 21.978 1.00 0.00 C ATOM 1422 C ASN A 95 0.742 10.749 22.895 1.00 0.00 C ATOM 1423 O ASN A 95 0.183 11.133 23.924 1.00 0.00 O ATOM 1424 CB ASN A 95 -0.238 8.438 22.747 1.00 0.00 C ATOM 1425 CG ASN A 95 0.998 7.748 23.307 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.102 7.905 22.795 1.00 0.00 O ATOM 1427 ND2 ASN A 95 0.810 6.952 24.346 1.00 0.00 N ATOM 0 H ASN A 95 1.524 8.630 20.935 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.857 10.162 21.620 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.918 8.669 23.567 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.761 7.748 22.084 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.598 6.444 24.748 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.123 6.846 24.745 1.00 0.00 H new ATOM 1434 N GLY A 96 1.930 11.183 22.511 1.00 0.00 N ATOM 1435 CA GLY A 96 2.634 12.201 23.256 1.00 0.00 C ATOM 1436 C GLY A 96 3.681 12.883 22.404 1.00 0.00 C ATOM 1437 O GLY A 96 3.894 12.482 21.258 1.00 0.00 O ATOM 0 H GLY A 96 2.424 10.843 21.686 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.924 12.941 23.624 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.109 11.753 24.129 1.00 0.00 H new ATOM 1441 N PRO A 97 4.341 13.924 22.927 1.00 0.00 N ATOM 1442 CA PRO A 97 5.383 14.645 22.193 1.00 0.00 C ATOM 1443 C PRO A 97 6.661 13.822 22.051 1.00 0.00 C ATOM 1444 O PRO A 97 7.332 13.517 23.039 1.00 0.00 O ATOM 1445 CB PRO A 97 5.631 15.887 23.052 1.00 0.00 C ATOM 1446 CG PRO A 97 5.234 15.484 24.431 1.00 0.00 C ATOM 1447 CD PRO A 97 4.121 14.484 24.275 1.00 0.00 C ATOM 0 HA PRO A 97 5.080 14.877 21.172 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.677 16.191 23.015 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.040 16.734 22.702 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.077 15.047 24.966 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.903 16.347 25.008 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.167 13.711 25.042 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.143 14.957 24.357 1.00 0.00 H new ATOM 1455 N ILE A 98 6.988 13.456 20.822 1.00 0.00 N ATOM 1456 CA ILE A 98 8.173 12.655 20.558 1.00 0.00 C ATOM 1457 C ILE A 98 9.357 13.546 20.202 1.00 0.00 C ATOM 1458 O ILE A 98 9.371 14.173 19.140 1.00 0.00 O ATOM 1459 CB ILE A 98 7.934 11.647 19.416 1.00 0.00 C ATOM 1460 CG1 ILE A 98 6.761 10.727 19.759 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.195 10.835 19.146 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.503 9.660 18.719 1.00 0.00 C ATOM 0 H ILE A 98 6.449 13.701 19.991 1.00 0.00 H new ATOM 0 HA ILE A 98 8.395 12.101 21.470 1.00 0.00 H new ATOM 0 HB ILE A 98 7.686 12.200 18.510 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.955 10.248 20.719 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.861 11.330 19.880 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.007 10.129 18.337 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.006 11.506 18.861 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.476 10.289 20.046 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.658 9.046 19.030 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.277 10.131 17.762 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.388 9.032 18.614 1.00 0.00 H new ATOM 1474 N PRO A 99 10.365 13.610 21.089 1.00 0.00 N ATOM 1475 CA PRO A 99 11.558 14.436 20.881 1.00 0.00 C ATOM 1476 C PRO A 99 12.323 14.044 19.620 1.00 0.00 C ATOM 1477 O PRO A 99 12.702 12.884 19.438 1.00 0.00 O ATOM 1478 CB PRO A 99 12.411 14.168 22.128 1.00 0.00 C ATOM 1479 CG PRO A 99 11.459 13.634 23.142 1.00 0.00 C ATOM 1480 CD PRO A 99 10.417 12.883 22.368 1.00 0.00 C ATOM 0 HA PRO A 99 11.301 15.487 20.746 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.204 13.451 21.916 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.892 15.081 22.481 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.968 12.980 23.850 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.010 14.441 23.721 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.694 11.838 22.227 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.453 12.891 22.876 1.00 0.00 H new ATOM 1488 N ARG A 100 12.545 15.014 18.747 1.00 0.00 N ATOM 1489 CA ARG A 100 13.257 14.770 17.504 1.00 0.00 C ATOM 1490 C ARG A 100 14.762 14.841 17.737 1.00 0.00 C ATOM 1491 O ARG A 100 15.333 15.924 17.858 1.00 0.00 O ATOM 1492 CB ARG A 100 12.811 15.772 16.427 1.00 0.00 C ATOM 1493 CG ARG A 100 13.452 15.543 15.065 1.00 0.00 C ATOM 1494 CD ARG A 100 14.672 16.426 14.859 1.00 0.00 C ATOM 1495 NE ARG A 100 14.305 17.799 14.505 1.00 0.00 N ATOM 1496 CZ ARG A 100 15.061 18.868 14.760 1.00 0.00 C ATOM 1497 NH1 ARG A 100 16.206 18.743 15.417 1.00 0.00 N ATOM 1498 NH2 ARG A 100 14.677 20.070 14.353 1.00 0.00 N ATOM 0 H ARG A 100 12.241 15.979 18.877 1.00 0.00 H new ATOM 0 HA ARG A 100 13.018 13.768 17.148 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.728 15.718 16.321 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.048 16.781 16.764 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.741 14.496 14.971 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.722 15.744 14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.271 16.435 15.770 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.296 16.003 14.071 1.00 0.00 H new ATOM 0 HE ARG A 100 13.413 17.947 14.033 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.515 17.824 15.732 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.777 19.566 15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.801 20.180 13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.258 20.885 14.550 1.00 0.00 H new ATOM 1512 N TYR A 101 15.395 13.679 17.828 1.00 0.00 N ATOM 1513 CA TYR A 101 16.838 13.612 18.021 1.00 0.00 C ATOM 1514 C TYR A 101 17.570 13.650 16.687 1.00 0.00 C ATOM 1515 O TYR A 101 18.722 14.078 16.618 1.00 0.00 O ATOM 1516 CB TYR A 101 17.225 12.347 18.788 1.00 0.00 C ATOM 1517 CG TYR A 101 16.763 12.341 20.227 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.478 13.015 21.208 1.00 0.00 C ATOM 1519 CD2 TYR A 101 15.618 11.656 20.604 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.064 13.007 22.526 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.196 11.644 21.918 1.00 0.00 C ATOM 1522 CZ TYR A 101 15.922 12.319 22.875 1.00 0.00 C ATOM 1523 OH TYR A 101 15.504 12.305 24.187 1.00 0.00 O ATOM 0 H TYR A 101 14.933 12.771 17.771 1.00 0.00 H new ATOM 0 HA TYR A 101 17.133 14.483 18.605 1.00 0.00 H new ATOM 0 HB2 TYR A 101 16.804 11.481 18.277 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.309 12.236 18.764 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.373 13.555 20.936 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.047 11.123 19.858 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.631 13.536 23.277 1.00 0.00 H new ATOM 0 HE2 TYR A 101 14.300 11.108 22.195 1.00 0.00 H new ATOM 0 HH TYR A 101 14.682 11.776 24.263 1.00 0.00 H new ATOM 1533 N VAL A 102 16.896 13.207 15.633 1.00 0.00 N ATOM 1534 CA VAL A 102 17.483 13.199 14.300 1.00 0.00 C ATOM 1535 C VAL A 102 17.285 14.546 13.606 1.00 0.00 C ATOM 1536 O VAL A 102 18.043 15.485 13.923 1.00 0.00 O ATOM 1537 CB VAL A 102 16.910 12.054 13.430 1.00 0.00 C ATOM 1538 CG1 VAL A 102 17.536 10.726 13.831 1.00 0.00 C ATOM 1539 CG2 VAL A 102 15.391 11.974 13.547 1.00 0.00 C ATOM 1540 OXT VAL A 102 16.376 14.671 12.758 1.00 0.00 O ATOM 0 H VAL A 102 15.942 12.849 15.676 1.00 0.00 H new ATOM 0 HA VAL A 102 18.552 13.025 14.420 1.00 0.00 H new ATOM 0 HB VAL A 102 17.157 12.268 12.390 1.00 0.00 H new ATOM 0 HG11 VAL A 102 17.125 9.928 13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 102 18.616 10.775 13.690 1.00 0.00 H new ATOM 0 HG13 VAL A 102 17.316 10.522 14.879 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.020 11.160 12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.115 11.791 14.585 1.00 0.00 H new ATOM 0 HG23 VAL A 102 14.951 12.914 13.215 1.00 0.00 H new